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  1. Third-Parties
  2. MatprojStructure
  3. mp-6407

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-6407
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 240
  • Number of elements: 4
  • Element list: ['F', 'Se', 'Sb', 'Te']
  • Chemical System: F-Sb-Se-Te
  • Density: 3.931876666701004
  • Atomic Density: 0.04939678027204472
  • Unit Cell Volume: 4858.616263615545
  • Molar Volume: 12.191362932632535
  • Full Formula: Sb32 Te16 Se32 F160
  • Reduced Formula: Sb2Te(SeF5)2
  • Formula Anonymous: AB2C2D10
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1138.16030747
  • Final energy per atom: -4.742334614458333
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.